methyl 4-azanyl-2-[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]benzoate

Systemtic Name: methyl 4-azanyl-2-[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]benzoate Openeye Name: methyl 4-amino-2-[[1-methyl-2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate CAS Name: 4-amino-2-[1-(4-phenyl-1-piperazinyl)propan-2-ylamino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-2-[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]benzoate Traditional Name: 4-amino-2-[[1-methyl-2-(4-phenylpiperazino)ethyl]amino]benzoic acid methyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=CC=C2)NC3=C(C=CC(=C3)N)C(=O)OC

Isomeric SMILES

CC(CN1CCN(CC1)C2=CC=CC=C2)NC3=C(C=CC(=C3)N)C(=O)OC

InChI

InChI=1S/C21H28N4O2/c1-16(23-20-14-17(22)8-9-19(20)21(26)27-2)15-24-10-12-25(13-11-24)18-6-4-3-5-7-18/h3-9,14,16,23H,10-13,15,22H2,1-2H3