11-(2-phenoxyethyl)-3-(phenylmethyl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indole

Systemtic Name: 11-(2-phenoxyethyl)-3-(phenylmethyl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indole Openeye Name: 3-benzyl-11-(2-phenoxyethyl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indole CAS Name: 11-(2-phenoxyethyl)-3-(phenylmethyl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indole IUPAC Name: 3-benzyl-11-(2-phenoxyethyl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indole Traditional Name: 3-benzyl-11-(2-phenoxyethyl)-1,2,4,5-tetrahydro-[1,4]diazepin[1,7-a]indole Formula: C27H28N2O MolecularWeight: 396.52402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN2C1=C(C3=CC=CC=C32)CCOC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN2C1=C(C3=CC=CC=C32)CCOC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O/c1-3-9-22(10-4-1)21-28-17-15-27-25(16-20-30-23-11-5-2-6-12-23)24-13-7-8-14-26(24)29(27)19-18-28/h1-14H,15-21H2