[5-[2-[4-(1H-benzimidazol-2-ylamino)butylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl] ethanoate

Systemtic Name: [5-[2-[4-(1H-benzimidazol-2-ylamino)butylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl] ethanoate Openeye Name: [5-[2-[4-(1H-benzimidazol-2-ylamino)butylamino]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl] acetate CAS Name: acetic acid [5-[2-[4-(1H-benzimidazol-2-ylamino)butylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl] ester IUPAC Name: [5-[2-[4-(1H-benzimidazol-2-ylamino)butylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl] acetate Traditional Name: acetic acid [5-[2-[4-(1H-benzimidazol-2-ylamino)butylamino]-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl] ester Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CC(=O)NCCCCNC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(=O)OC1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CC(=O)NCCCCNC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C29H29N5O4/c1-19(35)38-27-20-10-2-3-11-21(20)28(37)34(25-15-7-4-12-22(25)27)18-26(36)30-16-8-9-17-31-29-32-23-13-5-6-14-24(23)33-29/h2-7,10-15,27H,8-9,16-18H2,1H3,(H,30,36)(H2,31,32,33)