2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate; diphenylmethanone; methane

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate; diphenylmethanone; methane Openeye Name: 2-acetoxyethyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate; diphenylmethanone; methane CAS Name: 4-amino-3-bromo-5-[(4-methyl-1-piperazinyl)methyl]benzoic acid 2-acetyloxyethyl ester; diphenylmethanone; methane IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate; diphenylmethanone; methane Traditional Name: 4-amino-3-bromo-5-[(4-methylpiperazino)methyl]benzoic acid 2-acetoxyethyl ester; benzophenone; methane Formula: C31H38BrN3O5 MolecularWeight: 612.55452

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCN(CC2)C.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C.CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCN(CC2)C.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24BrN3O4.C13H10O.CH4/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;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h9-10H,3-8,11,19H2,1-2H3;1-10H;1H4