1-[(E)-4-azanyl-2-oxidanylidene-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one

Systemtic Name: 1-[(E)-4-azanyl-2-oxidanylidene-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one Openeye Name: 1-[(E)-4-amino-2-oxo-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one CAS Name: 1-[(E)-4-amino-2-oxo-5-[4-(2-phenoxyphenyl)-1-piperazinyl]pent-3-enyl]-2-azepanone IUPAC Name: 1-[(E)-4-amino-2-oxo-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pent-3-enyl]azepan-2-one Traditional Name: 1-[(E)-4-amino-2-keto-5-[4-(2-phenoxyphenyl)piperazino]pent-3-enyl]azepan-2-one Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)C=C(CN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4)N

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)/C=C(\CN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4)/N

InChI

InChI=1S/C27H34N4O3/c28-22(19-23(32)21-31-14-8-2-5-13-27(31)33)20-29-15-17-30(18-16-29)25-11-6-7-12-26(25)34-24-9-3-1-4-10-24/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21,28H2/b22-19+