2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone CAS Name: 4-amino-3-bromo-5-[(4-methyl-1-piperazinyl)methyl]benzoic acid 2-acetyloxyethyl ester; (4-chlorophenyl)-(5-methoxy-2-methyl-1-indolyl)methanone IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate; (4-chlorophenyl)-(5-methoxy-2-methylindol-1-yl)methanone Traditional Name: 4-amino-3-bromo-5-[(4-methylpiperazino)methyl]benzoic acid 2-acetoxyethyl ester; (4-chlorophenyl)-(5-methoxy-2-methyl-indol-1-yl)methanone Formula: C34H38BrClN4O6 MolecularWeight: 714.04572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCN(CC2)C

Isomeric SMILES

CC1=CC2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCN(CC2)C

InChI

InChI=1S/C17H24BrN3O4.C17H14ClNO2/c1-12(22)24-7-8-25-17(23)13-9-14(16(19)15(18)10-13)11-21-5-3-20(2)4-6-21;1-11-9-13-10-15(21-2)7-8-16(13)19(11)17(20)12-3-5-14(18)6-4-12/h9-10H,3-8,11,19H2,1-2H3;3-10H,1-2H3