4-[4-(1H-indol-2-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-[4-(1H-indol-2-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-[4-(1H-indol-2-ylmethylamino)-1-piperidyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-[4-(1H-indol-2-ylmethylamino)-1-piperidinyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-[4-(1H-indol-2-ylmethylamino)piperidin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 4-[4-(1H-indol-2-ylmethylamino)piperidino]-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H33N5O2/c33-26(31-25-7-3-4-14-28-27(25)34)19-8-10-23(11-9-19)32-15-12-21(13-16-32)29-18-22-17-20-5-1-2-6-24(20)30-22/h1-2,5-6,8-11,17,21,25,29-30H,3-4,7,12-16,18H2,(H,28,34)(H,31,33)/t25-/m0/s1