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5-nitro-3-phenyl-1-(phenylmethyl)-2-(piperidin-1-ylmethyl)indole

5-nitro-3-phenyl-1-(phenylmethyl)-2-(piperidin-1-ylmethyl)indole

Systemtic Name:5-nitro-3-phenyl-1-(phenylmethyl)-2-(piperidin-1-ylmethyl)indole
Openeye Name:1-benzyl-5-nitro-3-phenyl-2-(1-piperidylmethyl)indole
CAS Name:5-nitro-3-phenyl-1-(phenylmethyl)-2-(1-piperidinylmethyl)indole
IUPAC Name:1-benzyl-5-nitro-3-phenyl-2-(piperidin-1-ylmethyl)indole
Traditional Name:1-benzyl-5-nitro-3-phenyl-2-(piperidinomethyl)indole
Formula: C27H27N3O2
MolecularWeight: 425.52218
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])C5=CC=CC=C5


Isomeric SMILES

C1CCN(CC1)CC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])C5=CC=CC=C5


InChI

InChI=1S/C27H27N3O2/c31-30(32)23-14-15-25-24(18-23)27(22-12-6-2-7-13-22)26(20-28-16-8-3-9-17-28)29(25)19-21-10-4-1-5-11-21/h1-2,4-7,10-15,18H,3,8-9,16-17,19-20H2


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