N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(oxan-4-yl)-1-oxidanylidene-propan-2-yl]-1H-indole-6-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(oxan-4-yl)-1-oxidanylidene-propan-2-yl]-1H-indole-6-carboxamide Openeye Name: N-[(1S)-2-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-2-oxo-1-(tetrahydropyran-4-ylmethyl)ethyl]-1H-indole-6-carboxamide CAS Name: N-[(2S)-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-3-(4-oxanyl)-1-oxopropan-2-yl]-1H-indole-6-carboxamide IUPAC Name: N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(oxan-4-yl)-1-oxopropan-2-yl]-1H-indole-6-carboxamide Traditional Name: N-[(1S)-2-keto-2-[4-(1-methyl-4-piperidyl)piperazino]-1-(tetrahydropyran-4-ylmethyl)ethyl]-1H-indole-6-carboxamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C(=O)C(CC3CCOCC3)NC(=O)C4=CC5=C(C=C4)C=CN5

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)[C@H](CC3CCOCC3)NC(=O)C4=CC5=C(C=C4)C=CN5

InChI

InChI=1S/C27H39N5O3/c1-30-10-5-23(6-11-30)31-12-14-32(15-13-31)27(34)25(18-20-7-16-35-17-8-20)29-26(33)22-3-2-21-4-9-28-24(21)19-22/h2-4,9,19-20,23,25,28H,5-8,10-18H2,1H3,(H,29,33)/t25-/m0/s1