2-[7-[methyl(2-piperazin-1-ylethyl)carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-[methyl(2-piperazin-1-ylethyl)carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[methyl(2-piperazin-1-ylethyl)carbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[[methyl-[2-(1-piperazinyl)ethyl]amino]-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[methyl(2-piperazin-1-ylethyl)carbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-7-[methyl(2-piperazinoethyl)carbamoyl]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(CCN1CCNCC1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H36N4O4/c1-30(15-16-31-13-10-29-11-14-31)27(35)22-7-8-23-20-32(12-9-21-5-3-2-4-6-21)28(36)25(19-26(33)34)18-24(23)17-22/h2-8,17,25,29H,9-16,18-20H2,1H3,(H,33,34)