N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-4,5-dihydro-3H-1-benzazepin-2-amine

Systemtic Name: N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-4,5-dihydro-3H-1-benzazepin-2-amine Openeye Name: N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-4,5-dihydro-3H-1-benzazepin-2-amine CAS Name: N-[4-[3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-4,5-dihydro-3H-1-benzazepin-2-amine IUPAC Name: N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-4,5-dihydro-3H-1-benzazepin-2-amine Traditional Name: 4,5-dihydro-3H-1-benzazepin-2-yl-[4-[3-(4-phenylpiperazino)propoxy]phenyl]amine Formula: C29H34N4O MolecularWeight: 454.60646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N=C(C1)NC3=CC=C(C=C3)OCCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N=C(C1)NC3=CC=C(C=C3)OCCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N4O/c1-2-10-26(11-3-1)33-21-19-32(20-22-33)18-7-23-34-27-16-14-25(15-17-27)30-29-13-6-9-24-8-4-5-12-28(24)31-29/h1-5,8,10-12,14-17H,6-7,9,13,18-23H2,(H,30,31)