(diphenylmethyl) 3-[4-(3-azanylpropyl)-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoate

Systemtic Name: (diphenylmethyl) 3-[4-(3-azanylpropyl)-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoate Openeye Name: benzhydryl 3-[4-(3-aminopropyl)-2,3-dioxo-piperazin-1-yl]-3-(3-pyridyl)propanoate CAS Name: 3-[4-(3-aminopropyl)-2,3-dioxo-1-piperazinyl]-3-(3-pyridinyl)propanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-[4-(3-aminopropyl)-2,3-dioxopiperazin-1-yl]-3-pyridin-3-ylpropanoate Traditional Name: 3-[4-(3-aminopropyl)-2,3-diketo-piperazino]-3-(3-pyridyl)propionic acid benzhydryl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCN)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCN)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C28H30N4O4/c29-14-8-16-31-17-18-32(28(35)27(31)34)24(23-13-7-15-30-20-23)19-25(33)36-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-13,15,20,24,26H,8,14,16-19,29H2