N-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)piperazin-1-yl]butyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: N-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)piperazin-1-yl]butyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: N-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)piperazin-1-yl]butyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: N-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-1-piperazinyl]butyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide IUPAC Name: N-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)piperazin-1-yl]butyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: N-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)piperazino]butyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC2=C(C1)C=CC=C2N3CCN(CC3)CCCCNC(=O)C4=CNC5=C4C=CC=N5

Isomeric SMILES

C1CCOC2=C(C1)C=CC=C2N3CCN(CC3)CCCCNC(=O)C4=CNC5=C4C=CC=N5

InChI

InChI=1S/C26H33N5O2/c32-26(22-19-29-25-21(22)9-6-12-27-25)28-11-2-3-13-30-14-16-31(17-15-30)23-10-5-8-20-7-1-4-18-33-24(20)23/h5-6,8-10,12,19H,1-4,7,11,13-18H2,(H,27,29)(H,28,32)