N-[1-[2-[(3-azanyl-1H-indazol-6-yl)methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[1-[2-[(3-azanyl-1H-indazol-6-yl)methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide Openeye Name: N-[1-[2-[(3-amino-1H-indazol-6-yl)methylamino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]-4-phenyl-benzamide CAS Name: N-[1-[2-[(3-amino-1H-indazol-6-yl)methylamino]-2-oxoethyl]-2-oxo-3-azepanyl]-4-phenylbenzamide IUPAC Name: N-[1-[2-[(3-amino-1H-indazol-6-yl)methylamino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide Traditional Name: N-[1-[2-[(3-amino-1H-indazol-6-yl)methylamino]-2-keto-ethyl]-2-keto-azepan-3-yl]-4-phenyl-benzamide Formula: C29H30N6O3 MolecularWeight: 510.5869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)NCC4=CC5=C(C=C4)C(=NN5)N

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)NCC4=CC5=C(C=C4)C(=NN5)N

InChI

InChI=1S/C29H30N6O3/c30-27-23-14-9-19(16-25(23)33-34-27)17-31-26(36)18-35-15-5-4-8-24(29(35)38)32-28(37)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-3,6-7,9-14,16,24H,4-5,8,15,17-18H2,(H,31,36)(H,32,37)(H3,30,33,34)